SCHEMBL9446705

SCHEMBL9446705

O=C(Cl)C(=O)c1ccnc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
TAS1R2 Q8TE23 2/20 0.43
RECQL P46063 1/20 0.42
SMARCA2 P51531 5/20 0.42
SMARCA4 P51532 4/20 0.42
PROKR1 Q8TCW9 1/20 0.40
TRPA1 O75762 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
KDM4E B2RXH2 1/20 0.38
KDM6B O15054 1/20 0.38
TET3 O43151 1/20 0.38
KDM4A O75164 1/20 0.38
BBOX1 O75936 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL73194 0.83 TAS1R3 (0.45) CYP11B1CYP11B2TAS1R3TAS1R1TAS1R2
Hydrochloric Acid SCHEMBL6066419 0.82 TAS1R3 (0.44) CYP11B1CYP11B2TAS1R3TAS1R1TAS1R2
SCHEMBL27623752 0.81 RECQL (0.47) CYP11B1CYP11B2TAS1R3TAS1R1TAS1R2
SCHEMBL5197732 0.81 CES2 (0.59) CYP11B1CYP11B2TAS1R3TAS1R1TAS1R2
SCHEMBL4784283 0.79 CES2 (0.47) CYP11B1CYP11B2TAS1R3TAS1R1TAS1R2
SCHEMBL14204663 0.79 TAS1R3 (0.45) CYP11B1CYP11B2TAS1R3TAS1R1TAS1R2
SCHEMBL40123 0.79 KDM4C (0.61) TAS1R3TAS1R1TAS1R2RECQLKDM4E
SCHEMBL10080304 0.78 CES1 (0.55) CYP11B1CYP11B2TAS1R3TAS1R1TAS1R2
SCHEMBL7842106 0.78 RECQL (0.48) CYP11B1CYP11B2TAS1R3TAS1R1TAS1R2
SCHEMBL1569241 0.78 CCNC (0.50) TAS1R3TAS1R1TAS1R2RECQLSMARCA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5216170-A Promoters of livestock; treatment of obesity BAYER AKTIENGESELLSCHAFT (DE) 1993-06-01 US disclosed
US-5028617-A Heteroarylethanol-pyridylalkylamines for controlling animal growth BAYER AKTIENGESELLSCHAFT (DE) 1991-07-02 US disclosed